3-methyl-6-(2-methylpropyl)-4-[4-(naphthalene-2-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
3-methyl-6-(2-methylpropyl)-4-[4-(naphthalene-2-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
3-methyl-6-(2-methylpropyl)-4-[4-(naphthalene-2-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V027-0739 |
| Compound Name: | 3-methyl-6-(2-methylpropyl)-4-[4-(naphthalene-2-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 554.71 |
| Molecular Formula: | C31 H34 N6 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)S(c1ccc2ccccc2c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4631 |
| logD: | 5.9443 |
| logSw: | -6.757 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.544 |
| InChI Key: | LNUDDNLCNWZKBB-UHFFFAOYSA-N |